2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide

C16H21N3O2 — CID 116677354

IUPAC2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCOCC2)cc1)=C1CNC1
InChIInChI=1S/C16H21N3O2/c1-12(13-10-17-11-13)16(20)18-14-2-4-15(5-3-14)19-6-8-21-9-7-19/h2-5,17H,6-11H2,1H3,(H,18,20)
InChIKeyWXMVVHFMVBMITE-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.38
Rot. Bonds3

About 2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide

2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 116677354) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID116677354
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCOCC2)cc1)=C1CNC1
InChIInChI=1S/C16H21N3O2/c1-12(13-10-17-11-13)16(20)18-14-2-4-15(5-3-14)19-6-8-21-9-7-19/h2-5,17H,6-11H2,1H3,(H,18,20)
InChIKeyWXMVVHFMVBMITE-UHFFFAOYSA-N
XLogP1.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-[4-(triazol-2-yl)phenyl]propanamide
CID 116675099
2-hydrazinyl-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 59464167
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
2-(azetidin-3-ylidene)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 116676072
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(azetidin-3-ylidene)propanamide
CID 116675629
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
1-(4-acetylphenyl)-3-(4-morpholin-4-ylphenyl)thiourea chloride
CID 53351041
1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea
CID 72939182
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide (CID 116677354) is 2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide is CC(C(=O)Nc1ccc(N2CCOCC2)cc1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is WXMVVHFMVBMITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12(13-10-17-11-13)16(20)18-14-2-4-15(5-3-14)19-6-8-21-9-7-19/h2-5,17H,6-11H2,1H3,(H,18,20).
What are the key properties of 2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide?
2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 116677354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).